Methane

Methane

SCHEMBL28899488

C.Cc1c(N2CCCC2=O)c(=O)n2c3nc(ncc13)[S+]([O-])C1CCCC12

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.31
AKR1C3 P42330 2/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Methane SCHEMBL28462345 0.95 CDK4 (0.31) CDK4CCND1CCND3CDK6
Methane SCHEMBL4832996 0.81 CDK4 (0.40) CDK4CCND1CCND3CDK6
Methane SCHEMBL4832629 0.81 CDK4 (0.40) CDK4CCND1CCND3CDK6
Methane SCHEMBL6943814 0.81 CDK4 (0.40) CDK4CCND1CCND3CDK6
Methane SCHEMBL28475491 0.79 CCNE1 (0.31) CCND1CDK6
Methane SCHEMBL4833545 0.75 CDK4 (0.40) CDK4CCND1CCND3
Methane SCHEMBL28473469 0.74 CDK4 (0.32) CDK4CCND1CCND3CDK6
Methane SCHEMBL28462333 0.74 CCNE1 (0.31) CCND1CDK6
Methane SCHEMBL4828675 0.73 CDK2 (0.44) CDK4CCND1CCND3CDK6
SCHEMBL28899486 0.72 CDK4 (0.38) CDK4CCND1CCND3CDK6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191857-B 6-substituted pyrido [2,3-D ] pyrimidines as protein kinase inhibitors 晟科药业(江苏)有限公司 2020-10-23 CN disclosed